# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.27746080
_cell_length_b   19.27745548
_cell_length_c   16.68629496
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C767
_cell_volume   6200.96748135
_cell_formula_units_Z   767
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C1  1  0.044177  0.044177  0.166640  1
  C  C2  1  0.044143  0.044143  0.333538  1
  C  C3  1  0.044104  0.044105  0.499932  1
  C  C4  1  0.044143  0.044143  0.666327  1
  C  C5  1  0.044177  0.044177  0.833225  1
  C  C6  1  0.044134  0.293721  -0.000068  1
  C  C7  1  0.044048  0.294444  0.166757  1
  C  C8  1  0.044057  0.294380  0.333418  1
  C  C9  1  0.044078  0.294339  0.499932  1
  C  C10  1  0.044057  0.294380  0.666447  1
  C  C11  1  0.044048  0.294444  0.833108  1
  C  C12  1  0.044241  0.543824  -0.000068  1
  C  C13  1  0.044205  0.543965  0.166716  1
  C  C14  1  0.044167  0.544196  0.333341  1
  C  C15  1  0.044163  0.544249  0.499932  1
  C  C16  1  0.044167  0.544196  0.666524  1
  C  C17  1  0.044205  0.543965  0.833149  1
  C  C18  1  0.044764  0.792967  -0.000068  1
  C  C19  1  0.044343  0.793704  0.166702  1
  C  C20  1  0.044237  0.794131  0.333247  1
  C  C21  1  0.044205  0.794176  0.499932  1
  C  C22  1  0.044237  0.794131  0.666618  1
  C  C23  1  0.044343  0.793704  0.833163  1
  C  C24  1  0.293721  0.044134  -0.000068  1
  C  C25  1  0.294443  0.044048  0.166757  1
  C  C26  1  0.294380  0.044057  0.333418  1
  C  C27  1  0.294339  0.044078  0.499932  1
  C  C28  1  0.294380  0.044057  0.666447  1
  C  C29  1  0.294443  0.044048  0.833108  1
  C  C30  1  0.294350  0.294350  -0.000068  1
  C  C31  1  0.294231  0.294231  0.166667  1
  C  C32  1  0.294207  0.294207  0.333314  1
  C  C33  1  0.294222  0.294222  0.499932  1
  C  C34  1  0.294207  0.294207  0.666551  1
  C  C35  1  0.294231  0.294231  0.833198  1
  C  C36  1  0.294362  0.544136  -0.000068  1
  C  C37  1  0.294327  0.544163  0.166630  1
  C  C38  1  0.294272  0.544189  0.333292  1
  C  C39  1  0.294251  0.544197  0.499932  1
  C  C40  1  0.294272  0.544189  0.666573  1
  C  C41  1  0.294327  0.544163  0.833235  1
  C  C42  1  0.294474  0.794038  -0.000068  1
  C  C43  1  0.294398  0.794076  0.166636  1
  C  C44  1  0.294276  0.794122  0.333300  1
  C  C45  1  0.294260  0.794135  0.499932  1
  C  C46  1  0.294276  0.794122  0.666565  1
  C  C47  1  0.294398  0.794076  0.833229  1
  C  C48  1  0.543823  0.044241  -0.000068  1
  C  C49  1  0.543965  0.044205  0.166716  1
  C  C50  1  0.544196  0.044167  0.333341  1
  C  C51  1  0.544249  0.044163  0.499932  1
  C  C52  1  0.544196  0.044167  0.666524  1
  C  C53  1  0.543965  0.044205  0.833149  1
  C  C54  1  0.544136  0.294362  -0.000068  1
  C  C55  1  0.544162  0.294327  0.166630  1
  C  C56  1  0.544189  0.294272  0.333292  1
  C  C57  1  0.544197  0.294251  0.499932  1
  C  C58  1  0.544189  0.294272  0.666573  1
  C  C59  1  0.544162  0.294327  0.833235  1
  C  C60  1  0.544272  0.544272  -0.000068  1
  C  C61  1  0.544262  0.544262  0.166599  1
  C  C62  1  0.544246  0.544246  0.333267  1
  C  C63  1  0.544239  0.544240  0.499932  1
  C  C64  1  0.544246  0.544246  0.666598  1
  C  C65  1  0.544262  0.544262  0.833266  1
  C  C66  1  0.544281  0.794229  -0.000068  1
  C  C67  1  0.544286  0.794215  0.166586  1
  C  C68  1  0.544275  0.794196  0.333256  1
  C  C69  1  0.544262  0.794189  0.499932  1
  C  C70  1  0.544275  0.794196  0.666609  1
  C  C71  1  0.544286  0.794215  0.833279  1
  C  C72  1  0.792967  0.044764  -0.000068  1
  C  C73  1  0.793704  0.044343  0.166702  1
  C  C74  1  0.794131  0.044237  0.333247  1
  C  C75  1  0.794176  0.044205  0.499932  1
  C  C76  1  0.794131  0.044237  0.666618  1
  C  C77  1  0.793704  0.044343  0.833163  1
  C  C78  1  0.794038  0.294474  -0.000068  1
  C  C79  1  0.794076  0.294398  0.166636  1
  C  C80  1  0.794122  0.294276  0.333300  1
  C  C81  1  0.794135  0.294260  0.499932  1
  C  C82  1  0.794122  0.294276  0.666565  1
  C  C83  1  0.794076  0.294398  0.833229  1
  C  C84  1  0.794229  0.544282  -0.000068  1
  C  C85  1  0.794215  0.544286  0.166586  1
  C  C86  1  0.794195  0.544276  0.333256  1
  C  C87  1  0.794189  0.544262  0.499932  1
  C  C88  1  0.794195  0.544276  0.666609  1
  C  C89  1  0.794215  0.544286  0.833279  1
  C  C90  1  0.794387  0.794387  -0.000068  1
  C  C91  1  0.794337  0.794337  0.166338  1
  C  C92  1  0.794242  0.794242  0.333167  1
  C  C93  1  0.794225  0.794225  0.499932  1
  C  C94  1  0.794242  0.794242  0.666698  1
  C  C95  1  0.794337  0.794337  0.833527  1
  C  C96  1  0.206057  0.206057  -0.000068  1
  C  C97  1  0.205795  0.205795  0.166720  1
  C  C98  1  0.205678  0.205678  0.333269  1
  C  C99  1  0.205702  0.205702  0.499932  1
  C  C100  1  0.205678  0.205678  0.666596  1
  C  C101  1  0.205795  0.205795  0.833145  1
  C  C102  1  0.205650  0.455692  -0.000068  1
  C  C103  1  0.205682  0.455688  0.166606  1
  C  C104  1  0.205712  0.455677  0.333292  1
  C  C105  1  0.205713  0.455671  0.499932  1
  C  C106  1  0.205712  0.455677  0.666573  1
  C  C107  1  0.205682  0.455688  0.833259  1
  C  C108  1  0.205721  0.705522  -0.000068  1
  C  C109  1  0.205739  0.705550  0.166640  1
  C  C110  1  0.205733  0.705593  0.333296  1
  C  C111  1  0.205734  0.705594  0.499932  1
  C  C112  1  0.205733  0.705593  0.666569  1
  C  C113  1  0.205739  0.705550  0.833225  1
  C  C114  1  0.205587  0.955305  -0.000068  1
  C  C115  1  0.205771  0.955481  0.166648  1
  C  C116  1  0.205694  0.955434  0.333289  1
  C  C117  1  0.205699  0.955489  0.499932  1
  C  C118  1  0.205694  0.955434  0.666576  1
  C  C119  1  0.205771  0.955481  0.833217  1
  C  C120  1  0.455692  0.205650  -0.000068  1
  C  C121  1  0.455688  0.205682  0.166606  1
  C  C122  1  0.455676  0.205712  0.333292  1
  C  C123  1  0.455671  0.205713  0.499932  1
  C  C124  1  0.455676  0.205712  0.666573  1
  C  C125  1  0.455688  0.205682  0.833259  1
  C  C126  1  0.455698  0.455698  -0.000068  1
  C  C127  1  0.455693  0.455694  0.166608  1
  C  C128  1  0.455690  0.455690  0.333269  1
  C  C129  1  0.455691  0.455691  0.499932  1
  C  C130  1  0.455690  0.455690  0.666596  1
  C  C131  1  0.455693  0.455694  0.833257  1
  C  C132  1  0.455763  0.705629  -0.000068  1
  C  C133  1  0.455754  0.705632  0.166608  1
  C  C134  1  0.455736  0.705642  0.333276  1
  C  C135  1  0.455725  0.705647  0.499932  1
  C  C136  1  0.455736  0.705642  0.666589  1
  C  C137  1  0.455754  0.705632  0.833257  1
  C  C138  1  0.455774  0.955537  -0.000068  1
  C  C139  1  0.455743  0.955578  0.166615  1
  C  C140  1  0.455714  0.955611  0.333290  1
  C  C141  1  0.455698  0.955623  0.499932  1
  C  C142  1  0.455714  0.955611  0.666575  1
  C  C143  1  0.455743  0.955578  0.833249  1
  C  C144  1  0.705521  0.205721  -0.000068  1
  C  C145  1  0.705550  0.205739  0.166640  1
  C  C146  1  0.705593  0.205734  0.333296  1
  C  C147  1  0.705594  0.205734  0.499932  1
  C  C148  1  0.705593  0.205734  0.666569  1
  C  C149  1  0.705550  0.205739  0.833225  1
  C  C150  1  0.705628  0.455763  -0.000068  1
  C  C151  1  0.705632  0.455754  0.166608  1
  C  C152  1  0.705641  0.455736  0.333276  1
  C  C153  1  0.705647  0.455725  0.499932  1
  C  C154  1  0.705641  0.455736  0.666589  1
  C  C155  1  0.705632  0.455754  0.833257  1
  C  C156  1  0.705733  0.705733  -0.000068  1
  C  C157  1  0.705725  0.705725  0.166607  1
  C  C158  1  0.705696  0.705696  0.333272  1
  C  C159  1  0.705690  0.705690  0.499932  1
  C  C160  1  0.705696  0.705696  0.666593  1
  C  C161  1  0.705725  0.705725  0.833258  1
  C  C162  1  0.705859  0.955475  -0.000068  1
  C  C163  1  0.705731  0.955585  0.166626  1
  C  C164  1  0.705644  0.955675  0.333296  1
  C  C165  1  0.705643  0.955675  0.499932  1
  C  C166  1  0.705644  0.955675  0.666569  1
  C  C167  1  0.705731  0.955585  0.833239  1
  C  C168  1  0.955305  0.205587  -0.000068  1
  C  C169  1  0.955481  0.205772  0.166648  1
  C  C170  1  0.955434  0.205695  0.333289  1
  C  C171  1  0.955488  0.205699  0.499932  1
  C  C172  1  0.955434  0.205695  0.666576  1
  C  C173  1  0.955481  0.205772  0.833217  1
  C  C174  1  0.955537  0.455774  -0.000068  1
  C  C175  1  0.955578  0.455743  0.166615  1
  C  C176  1  0.955611  0.455714  0.333290  1
  C  C177  1  0.955623  0.455698  0.499932  1
  C  C178  1  0.955611  0.455714  0.666575  1
  C  C179  1  0.955578  0.455743  0.833249  1
  C  C180  1  0.955475  0.705859  -0.000068  1
  C  C181  1  0.955584  0.705731  0.166626  1
  C  C182  1  0.955675  0.705644  0.333296  1
  C  C183  1  0.955675  0.705644  0.499932  1
  C  C184  1  0.955675  0.705644  0.666569  1
  C  C185  1  0.955584  0.705731  0.833239  1
  C  C186  1  0.957386  0.957386  -0.000068  1
  C  C187  1  0.955556  0.955556  0.166586  1
  C  C188  1  0.955616  0.955616  0.333330  1
  C  C189  1  0.955614  0.955614  0.499932  1
  C  C190  1  0.955616  0.955616  0.666535  1
  C  C191  1  0.955556  0.955556  0.833279  1
  C  C192  1  0.205671  0.043473  -0.000068  1
  C  C193  1  0.206437  0.043723  0.168121  1
  C  C194  1  0.205934  0.043938  0.333861  1
  C  C195  1  0.205838  0.044016  0.499932  1
  C  C196  1  0.205934  0.043938  0.666004  1
  C  C197  1  0.206437  0.043723  0.831744  1
  C  C198  1  0.205948  0.295015  -0.000068  1
  C  C199  1  0.205788  0.294567  0.166709  1
  C  C200  1  0.205714  0.294277  0.333348  1
  C  C201  1  0.205711  0.294264  0.499932  1
  C  C202  1  0.205714  0.294277  0.666517  1
  C  C203  1  0.205788  0.294567  0.833156  1
  C  C204  1  0.205848  0.544218  -0.000068  1
  C  C205  1  0.205812  0.544218  0.166677  1
  C  C206  1  0.205753  0.544206  0.333332  1
  C  C207  1  0.205730  0.544199  0.499932  1
  C  C208  1  0.205753  0.544206  0.666533  1
  C  C209  1  0.205812  0.544218  0.833188  1
  C  C210  1  0.206126  0.793870  -0.000068  1
  C  C211  1  0.205985  0.793957  0.166998  1
  C  C212  1  0.205781  0.794076  0.333421  1
  C  C213  1  0.205748  0.794097  0.499932  1
  C  C214  1  0.205781  0.794076  0.666444  1
  C  C215  1  0.205985  0.793957  0.832867  1
  C  C216  1  0.455351  0.044059  -0.000068  1
  C  C217  1  0.455484  0.044097  0.166624  1
  C  C218  1  0.455690  0.044136  0.333357  1
  C  C219  1  0.455731  0.044151  0.499932  1
  C  C220  1  0.455690  0.044136  0.666508  1
  C  C221  1  0.455484  0.044097  0.833241  1
  C  C222  1  0.455634  0.294204  -0.000068  1
  C  C223  1  0.455654  0.294232  0.166637  1
  C  C224  1  0.455673  0.294252  0.333294  1
  C  C225  1  0.455679  0.294248  0.499932  1
  C  C226  1  0.455673  0.294252  0.666571  1
  C  C227  1  0.455654  0.294232  0.833228  1
  C  C228  1  0.455753  0.544226  -0.000068  1
  C  C229  1  0.455743  0.544220  0.166622  1
  C  C230  1  0.455725  0.544216  0.333286  1
  C  C231  1  0.455718  0.544216  0.499932  1
  C  C232  1  0.455725  0.544216  0.666579  1
  C  C233  1  0.455743  0.544220  0.833243  1
  C  C234  1  0.455772  0.794128  -0.000068  1
  C  C235  1  0.455772  0.794137  0.166648  1
  C  C236  1  0.455756  0.794156  0.333316  1
  C  C237  1  0.455740  0.794165  0.499932  1
  C  C238  1  0.455756  0.794156  0.666549  1
  C  C239  1  0.455772  0.794137  0.833217  1
  C  C240  1  0.704350  0.044022  -0.000068  1
  C  C241  1  0.704989  0.044095  0.166714  1
  C  C242  1  0.705551  0.044195  0.333331  1
  C  C243  1  0.705628  0.044198  0.499932  1
  C  C244  1  0.705551  0.044195  0.666534  1
  C  C245  1  0.704989  0.044095  0.833151  1
  C  C246  1  0.705448  0.294298  -0.000068  1
  C  C247  1  0.705509  0.294302  0.166610  1
  C  C248  1  0.705583  0.294277  0.333280  1
  C  C249  1  0.705604  0.294271  0.499932  1
  C  C250  1  0.705583  0.294277  0.666585  1
  C  C251  1  0.705509  0.294302  0.833255  1
  C  C252  1  0.705690  0.544290  -0.000068  1
  C  C253  1  0.705679  0.544280  0.166602  1
  C  C254  1  0.705666  0.544261  0.333269  1
  C  C255  1  0.705663  0.544250  0.499932  1
  C  C256  1  0.705666  0.544261  0.666596  1
  C  C257  1  0.705679  0.544280  0.833263  1
  C  C258  1  0.705736  0.794209  -0.000068  1
  C  C259  1  0.705735  0.794215  0.166597  1
  C  C260  1  0.705693  0.794206  0.333268  1
  C  C261  1  0.705688  0.794205  0.499932  1
  C  C262  1  0.705693  0.794206  0.666597  1
  C  C263  1  0.705735  0.794215  0.833268  1
  C  C264  1  0.944136  0.042341  -0.000068  1
  C  C265  1  0.955029  0.043878  0.167120  1
  C  C266  1  0.955483  0.044097  0.333413  1
  C  C267  1  0.955537  0.044124  0.499932  1
  C  C268  1  0.955483  0.044097  0.666452  1
  C  C269  1  0.955029  0.043878  0.832745  1
  C  C270  1  0.955589  0.294528  -0.000068  1
  C  C271  1  0.955432  0.294547  0.166610  1
  C  C272  1  0.955517  0.294282  0.333299  1
  C  C273  1  0.955546  0.294250  0.499932  1
  C  C274  1  0.955517  0.294282  0.666566  1
  C  C275  1  0.955432  0.294547  0.833255  1
  C  C276  1  0.955713  0.544311  -0.000068  1
  C  C277  1  0.955671  0.544274  0.166608  1
  C  C278  1  0.955632  0.544240  0.333283  1
  C  C279  1  0.955631  0.544222  0.499932  1
  C  C280  1  0.955632  0.544240  0.666582  1
  C  C281  1  0.955671  0.544274  0.833257  1
  C  C282  1  0.956113  0.794143  -0.000068  1
  C  C283  1  0.955733  0.794089  0.166702  1
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